1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide

C25H26N4O4 — CID 41262875

IUPAC1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N4O4/c30-24(27-15-14-26-20-8-10-21(11-9-20)29(32)33)19-12-16-28(17-13-19)25(31)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,19,26H,12-17H2,(H,27,30)
InChIKeyVQDXNWOFZXENSO-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.83
Rot. Bonds7

About 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide

1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide (PubChem CID 41262875) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
PubChem CID41262875
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N4O4/c30-24(27-15-14-26-20-8-10-21(11-9-20)29(32)33)19-12-16-28(17-13-19)25(31)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,19,26H,12-17H2,(H,27,30)
InChIKeyVQDXNWOFZXENSO-UHFFFAOYSA-N
XLogP3.83
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-nitroanilino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713007
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-[2-(4-nitroanilino)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 32562189
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
1-(4-fluorophenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262550
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide (CID 41262875) is 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide is O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is VQDXNWOFZXENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-24(27-15-14-26-20-8-10-21(11-9-20)29(32)33)19-12-16-28(17-13-19)25(31)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,19,26H,12-17H2,(H,27,30).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide?
1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).